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Home > Bromides > 1245649-96-0
1245649-96-0 | 1H-Pyrazolo[3,4-b]pyridine, 3-bromo-5-chloro-
CAS No: 1245649-96-0 Catalog No: AG000MCV MDL No:MFCD14706800
Product Description
Catalog Number:
AG000MCV
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 3-bromo-5-chloro-
CAS Number:
1245649-96-0
Molecular Formula:
C6H3BrClN3
Molecular Weight:
232.4651
MDL Number:
MFCD14706800
IUPAC Name:
3-bromo-5-chloro-2H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C6H3BrClN3/c7-5-4-1-3(8)2-9-6(4)11-10-5/h1-2H,(H,9,10,11)
InChI Key:
YMVUEHXTDWJMIW-UHFFFAOYSA-N
SMILES:
Clc1cnc2c(c1)c(Br)n[nH]2
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.92g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.465g/mol
Monoisotopic Mass:
230.92g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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